CHEBI:202669 - Chlorotonil A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Chlorotonil A
ChEBI ID CHEBI:202669
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H32Cl2O4
Net Charge 0
Average Mass 479.440
Monoisotopic Mass 478.16776
InChI InChI=1S/C26H32Cl2O4/c1-14-12-16(3)21-19(13-14)10-11-20-15(2)8-6-7-9-17(4)32-25(31)18(5)23(29)26(27,28)24(30)22(20)21/h6-12,15-22H,13H2,1-5H3/b8-6-,9-7+/t15-,16-,17+,18+,19-,20+,21-,22-/m1/s1
InChIKey RQYZFUUTQJMTMJ-JCSZEPHKSA-N
SMILES ClC1(Cl)C(=O)[C@@H](C(=O)O[C@H](C=CC=C[C@H]([C@H]2[C@@H](C1=O)[C@H]3[C@@H](CC(C)=C[C@H]3C)C=C2)C)C)C
Metabolite of Species Details
Sorangium cellulosum (NCBI:txid56) See: PubMed
ChEBI Ontology
Outgoing Chlorotonil A (CHEBI:202669) is a macrolide (CHEBI:25106)
IUPAC Name
(1S,2R,3Z,5E,7S,10S,14R,15R,16S,20S)-12,12-dichloro-2,7,10,16,18-pentamethyl-8-oxatricyclo[12.8.0.015,20]docosa-3,5,17,21-tetraene-9,11,13-trione
Manual Xref Database
28284718 ChemSpider
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